KEGG   DRUG: OctodrineHelp
Entry
D05228                      Drug                                   

Name
Octodrine (USAN/INN)
Formula
C8H19N
Exact mass
129.1518
Mol weight
129.2432
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anesthetic (local), Vasoconstrictor, Adrenergic receptor agonist
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D05228  Octodrine (USAN/INN)
    ADRA2
     D05228  Octodrine (USAN/INN)
    ADRB
     D05228  Octodrine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 543-82-8
PubChem: 47206947
ChEMBL: CHEMBL2105833
LigandBox: D05228
NIKKAJI: J6.405J
LinkDB All DBs
KCF data Show

ATOM        9
            1   C1a C    23.1700  -16.1000
            2   C1c C    21.9800  -15.4000
            3   C1b C    20.7200  -16.1000
            4   C1b C    19.5300  -15.4000
            5   C1b C    18.3400  -16.1000
            6   C1c C    17.0800  -15.4000
            7   N1a N    21.9800  -14.0000
            8   C1a C    15.8900  -16.1000
            9   C1a C    17.0800  -14.0000
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 1
            7     6   8 1
            8     6   9 1

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